Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM265052'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 3 (RAT)	BDBM265052 (US9718790, I-1679) Show SMILES Cc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCO)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClN5O3S/c1-12-22-16-7-6-15(10-17(16)30-12)23-18-24-19(28)25(8-9-27)20(29)26(18)11-13-2-4-14(21)5-3-13/h2-7,10,27H,8-9,11H2,1H3,(H,23,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM265052 (US9718790, I-1679) Show SMILES Cc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCO)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClN5O3S/c1-12-22-16-7-6-15(10-17(16)30-12)23-18-24-19(28)25(8-9-27)20(29)26(18)11-13-2-4-14(21)5-3-13/h2-7,10,27H,8-9,11H2,1H3,(H,23,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM265052 (US9718790, I-1679) Show SMILES Cc1nc2ccc(cc2s1)\N=c1/[nH]c(=O)n(CCO)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H18ClN5O3S/c1-12-22-16-7-6-15(10-17(16)30-12)23-18-24-19(28)25(8-9-27)20(29)26(18)11-13-2-4-14(21)5-3-13/h2-7,10,27H,8-9,11H2,1H3,(H,23,24,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair